Information card for entry 2023563

Structure parameters

• Chemical name: 2,2'-(Ethane-1,2-diyl)bis[3-(pyridin-2-yl)imidazo[1,5-<i>a</i>]pyridin-2-ium] dichloride hexahydrate
• Formula: C26 H34 Cl2 N6 O6
• Calculated formula: C26 H34 Cl2 N6 O6
• Title of publication: 2,2′-(Ethane-1,2-diyl)bis[3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] dichloride hexahydrate
• Authors of publication: Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Goreshnik, Evgeny
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 9.0061 ± 0.0007 Å
• b: 15.1053 ± 0.001 Å
• c: 21.2487 ± 0.0014 Å
• α: 90°
• β: 96.752 ± 0.007°
• γ: 90°
• Cell volume: 2870.6 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No